methyl 3-[5-[(E)-2-cyano-2-methylsulfonyl-ethenyl]furan-2-yl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[5-[(E)-2-cyano-2-methylsulfonyl-ethenyl]furan-2-yl]thiophene-2-carboxylate Openeye Name: methyl 3-[5-[(E)-2-cyano-2-methylsulfonyl-vinyl]-2-furyl]thiophene-2-carboxylate CAS Name: 3-[5-[(E)-2-cyano-2-methylsulfonylethenyl]-2-furanyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[5-[(E)-2-cyano-2-methylsulfonylethenyl]furan-2-yl]thiophene-2-carboxylate Traditional Name: 3-[5-[(E)-2-cyano-2-mesyl-vinyl]-2-furyl]thiophene-2-carboxylic acid methyl ester Formula: C14H11NO5S2 MolecularWeight: 337.37084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)C2=CC=C(O2)C=C(C#N)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=C(C=CS1)C2=CC=C(O2)/C=C(\C#N)/S(=O)(=O)C

InChI

InChI=1S/C14H11NO5S2/c1-19-14(16)13-11(5-6-21-13)12-4-3-9(20-12)7-10(8-15)22(2,17)18/h3-7H,1-2H3/b10-7+